Iodine in PDB 5eij: Carbonic Anhydrase II in Complex with Sulfonamide Inhibitor

All present enzymatic activity of Carbonic Anhydrase II in Complex with Sulfonamide Inhibitor:
4.2.1.1;

The structure of Carbonic Anhydrase II in Complex with Sulfonamide Inhibitor, PDB code: 5eij was solved by C.L.Lomelino, B.P.Mahon, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.386, 41.663, 72.707, 90.00, 104.04, 90.00
R / Rfree (%)	15.9 / 21.9

The structure of Carbonic Anhydrase II in Complex with Sulfonamide Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iodine atom in the Carbonic Anhydrase II in Complex with Sulfonamide Inhibitor (pdb code 5eij). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Carbonic Anhydrase II in Complex with Sulfonamide Inhibitor, PDB code: 5eij:

Iodine binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Carbonic Anhydrase II in Complex with Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:96.1 occ:1.00 IAQ A:5OT302 0.0 96.1 1.0 CAO A:5OT302 2.1 35.9 1.0 CAN A:5OT302 3.0 23.6 1.0 CAP A:5OT302 3.0 30.9 1.0 CAM A:5OT302 4.3 19.2 1.0 CAK A:5OT302 4.3 25.8 1.0 CD A:PRO202 4.8 13.4 1.0 CG A:PRO202 4.8 15.8 1.0 CAL A:5OT302 4.8 18.2 1.0

C.L.Lomelino, B.P.Mahon, R.Mckenna, F.Carta, C.T.Supuran. Kinetic and X-Ray Crystallographic Investigations on Carbonic Anhydrase Isoforms I, II, IX and XII of A Thioureido Analog of Slc-0111. Bioorg. Med. Chem. V. 24 976 2016.
ISSN: ESSN 1464-3391
PubMed: 26810836
DOI: 10.1016/J.BMC.2016.01.019